SCHEMBL7640599

SCHEMBL7640599

COC(=O)C(/C=N\O)CCCOc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 2/20 0.44
RECQL P46063 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
THRB P10828 1/20 0.41
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
PPARG P37231 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7642378 0.96 TDP1 (0.47) TDP1GAAL3MBTL1RAB9AMAPT
SCHEMBL7643102 0.95 TDP1 (0.46) TDP1GAAL3MBTL1RAB9AMAPT
SCHEMBL7634086 0.95 TDP1 (0.46) TDP1GAAL3MBTL1RAB9AMAPT
SCHEMBL7643137 0.88 TDP1 (0.64) TDP1GAAL3MBTL1RAB9AMAPT
SCHEMBL7634847 0.87 TDP1 (0.49) TDP1L3MBTL1RAB9AMAPTHPGD
SCHEMBL7642341 0.84 TDP1 (0.46) TDP1L3MBTL1RAB9AMAPTTHRB
SCHEMBL7637963 0.84 MEN1 (0.49) L3MBTL1MAPTHPGDMEN1KMT2A
SCHEMBL7641285 0.84 TDP1 (0.59) TDP1GAAL3MBTL1RAB9AMAPT
SCHEMBL7640106 0.83 TDP1 (0.45) TDP1L3MBTL1MAPTHPGDRECQL
SCHEMBL7640346 0.83 TDP1 (0.58) TDP1GAAL3MBTL1RAB9AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed